bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth

C34H35BiF6N4O6S2 — CID 138974231

IUPACbis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth
SMILESCN(C)c1ccncc1.CN(C)c1ccncc1.O=S(=O)(O[Bi](OS(=O)(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/2C7H10N2.3C6H5.2CHF3O3S.Bi/c2*1-9(2)7-3-5-8-6-4-7;3*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h2*3-6H,1-2H3;3*1-5H;2*(H,5,6,7);/q;;;;;;;+2/p-2
InChIKeyHARXMRJADDDZAZ-UHFFFAOYSA-L
MW982.78 g/mol
LogP5.13
Rot. Bonds9

About bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth

bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth (PubChem CID 138974231) has the molecular formula C34H35BiF6N4O6S2 and a molecular weight of 982.78 g/mol. Its IUPAC name is bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth.

Molecular Properties

Compound Namebis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth
PubChem CID138974231
Molecular FormulaC34H35BiF6N4O6S2
Molecular Weight982.78 g/mol
Exact Mass982.17
IUPAC Namebis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth
SMILESCN(C)c1ccncc1.CN(C)c1ccncc1.O=S(=O)(O[Bi](OS(=O)(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/2C7H10N2.3C6H5.2CHF3O3S.Bi/c2*1-9(2)7-3-5-8-6-4-7;3*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h2*3-6H,1-2H3;3*1-5H;2*(H,5,6,7);/q;;;;;;;+2/p-2
InChIKeyHARXMRJADDDZAZ-UHFFFAOYSA-L
XLogP5.13
TPSA119.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.78
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(4-dimethylaminopyridin-1-ium-1-yl)phenyliodane bis(trifluoromethanesulfonate)
CID 15783561
4-(Dimethylamino)-1-((trifluoromethyl)sulfonyl)pyridin-1-ium trifluoromethanesulfonate
CID 118877769
[Fe(OTf)2(mcp)]
CID 53314867
N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(2+);bis(trifluoromethanesulfonate)
CID 53314874
bis(1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine);iron(2+);iron(3+);oxygen(2-);bis(trifluoromethanesulfonate);hydroxide
CID 53314875
Tris-[4-(dimethylamino)pyridinium]-phosphine tris(trifluoromethanesulfonate)
CID 86583131
4,4'-[(2-Aminophenyl)azanediyl]bis(1-methylpyridin-1-ium)-triflate
CID 129770482
1-Butyl-4-(dimethylamino)pyridinium bis(trifluoromethane)sulfonimide
CID 129842409
2-Pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth
CID 138974233
4-[1-[2-[4-[4-(dimethylamino)phenyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]-N,N-dimethylaniline;bis(trifluoromethanesulfonate)
CID 139039420
bis(acetonitrile);1-bis[4-(dimethylamino)pyridin-1-ium-1-yl]arsanyl-N,N-dimethylpyridin-1-ium-4-amine;tris(trifluoromethanesulfonate)
CID 139046317
[nhexpy]NTF2
CID 139113918

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth?
The IUPAC name of bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth (CID 138974231) is bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth.
What is the SMILES notation for bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth?
The canonical SMILES for bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth is CN(C)c1ccncc1.CN(C)c1ccncc1.O=S(=O)(O[Bi](OS(=O)(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth?
The InChIKey is HARXMRJADDDZAZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H10N2.3C6H5.2CHF3O3S.Bi/c2*1-9(2)7-3-5-8-6-4-7;3*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h2*3-6H,1-2H3;3*1-5H;2*(H,5,6,7);/q;;;;;;;+2/p-2.
What are the key properties of bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth?
bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth has a molecular weight of 982.78 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth is sourced from PubChem (CID 138974231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).